General Information of the Compound
| Compound ID |
CP0917424
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| Compound Name |
4-((5,6-dichloro-3-propyl-2-(4-(trifluoromethoxy)phenylimino)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-N-(1H-tetrazol-5-yl)benzamide
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| Formula |
C26H21Cl2F3N8O2
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| Molecular Weight |
605.408
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| Canonical SMILES |
CCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21
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| InChI |
InChI=1S/C26H21Cl2F3N8O2/c1-2-11-38-21-12-19(27)20(28)13-22(21)39(25(38)32-17-7-9-18(10-8-17)41-26(29,30)31)14-15-3-5-16(6-4-15)23(40)33-24-34-36-37-35-24/h3-10,12-13H,2,11,14H2,1H3,(H2,33,34,35,36,37,40)/b32-25-
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| InChIKey |
QFCUENOQPVWEEQ-MKCFTUBBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound